Task 38660915

Name test_1240-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND2150_1
Workunit 31602688
Created 24 Oct 2026, 14:55:54 UTC
Sent 24 Oct 2026, 17:25:23 UTC
Report deadline 29 Oct 2026, 17:25:23 UTC
Received 24 Oct 2026, 19:36:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630396
Run time 55 min 7 sec
CPU time 50 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,956.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.37 MB
Peak swap size 9.18 GB
Peak disk usage 3.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:58:38 (42404): wrapper (7.9.26016): starting
19:58:38 (42404): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
19:58:41 (42404): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:58:41 (42404): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\22\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\22\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
20:50:17 (42404): C:/Windows/system32/cmd.exe exited; CPU time 3001.390625
20:50:17 (42404): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 58978215 bytes.
Dumping objects ->
{3835467} normal block at 0x00000177F82E8B60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x00000177F82E8AF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835445} normal block at 0x00000177F82E89A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835434} normal block at 0x00000177F82E8700, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835423} normal block at 0x00000177F82E88C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835392} normal block at 0x00000177FA0D7790, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835381} normal block at 0x00000177FA0F1450, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835378} normal block at 0x00000177F82E0C80, 8 bytes long.
 Data: <  *&#248;w   > 00 00 2A F8 77 01 00 00 
{3834657} normal block at 0x00000177FA0F08A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000177F82E1B80, 8 bytes long.
 Data: <`&#221;;&#248;w   > 60 DD 3B F8 77 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000177F82E3790, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000177F82CE740, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000177F82E7080, 16 bytes long.
 Data: < &#131;.&#248;w           > 18 83 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000177F82E7350, 16 bytes long.
 Data: <&#240;&#130;.&#248;w           > F0 82 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000177F82E1D00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000177F82E7CB0, 16 bytes long.
 Data: <&#200;&#130;.&#248;w           > C8 82 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000177F82E7EE0, 16 bytes long.
 Data: <&#160;&#130;.&#248;w           > A0 82 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000177F82E78F0, 16 bytes long.
 Data: <x&#130;.&#248;w           > 78 82 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000177F82E7DF0, 16 bytes long.
 Data: <P&#130;.&#248;w           > 50 82 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000177F82E8460, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000177F82E7490, 16 bytes long.
 Data: <8 .&#248;w           > 38 0B 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000177F82E2300, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000177F82E7120, 16 bytes long.
 Data: <  .&#248;w           > 10 0B 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000177F82E72B0, 16 bytes long.
 Data: <&#232; .&#248;w           > E8 0A 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000177F82E7E90, 16 bytes long.
 Data: <&#192; .&#248;w           > C0 0A 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000177F82E71C0, 16 bytes long.
 Data: <  .&#248;w           > 98 0A 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000177F82E7850, 16 bytes long.
 Data: <p .&#248;w           > 70 0A 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000177F82E7A80, 16 bytes long.
 Data: <H .&#248;w           > 48 0A 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000177F82E2360, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000177F82E7C60, 16 bytes long.
 Data: <  .&#248;w           > 20 0A 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000177F82E0A20, 320 bytes long.
 Data: <`|.&#248;w   `#.&#248;w   > 60 7C 2E F8 77 01 00 00 60 23 2E F8 77 01 00 00 
{275} normal block at 0x00000177F82E7C10, 16 bytes long.
 Data: <0&#130;.&#248;w           > 30 82 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000177F82E7800, 16 bytes long.
 Data: < &#130;.&#248;w           > 08 82 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000177F82E2AE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000177F82E7030, 16 bytes long.
 Data: <&#224; .&#248;w           > E0 81 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000177F82E27E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000177F82E7530, 16 bytes long.
 Data: <( .&#248;w           > 28 81 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000177F82E78A0, 16 bytes long.
 Data: <  .&#248;w           > 00 81 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000177F82E7760, 16 bytes long.
 Data: <&#216; .&#248;w           > D8 80 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000177F82E7D50, 16 bytes long.
 Data: <&#176; .&#248;w           > B0 80 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000177F82E7E40, 16 bytes long.
 Data: <  .&#248;w           > 88 80 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000177F82E7170, 16 bytes long.
 Data: <` .&#248;w           > 60 80 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000177F82E77B0, 16 bytes long.
 Data: <&#224;&#193;,&#248;w           > E0 C1 2C F8 77 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000177F82CC1E0, 40 bytes long.
 Data: <&#176;w.&#248;w    w &#250;w   > B0 77 2E F8 77 01 00 00 90 77 0D FA 77 01 00 00 
{261} normal block at 0x00000177F82E7710, 16 bytes long.
 Data: <@ .&#248;w           > 40 80 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000177F82E7300, 16 bytes long.
 Data: <  .&#248;w           > 18 80 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000177F82E2A20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000177F82E7210, 16 bytes long.
 Data: <&#240; .&#248;w           > F0 7F 2E F8 77 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000177F82E7FF0, 992 bytes long.
 Data: < r.&#248;w    *.&#248;w   > 10 72 2E F8 77 01 00 00 20 2A 2E F8 77 01 00 00 
{93} normal block at 0x00000177F82E2240, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000177F82E1680, 16 bytes long.
 Data: <  -&#248;w           > 80 1A 2D F8 77 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000177F82D1A80, 40 bytes long.
 Data: <  .&#248;w   @".&#248;w   > 80 16 2E F8 77 01 00 00 40 22 2E F8 77 01 00 00 
{70} normal block at 0x00000177F82E18B0, 16 bytes long.
 Data: < &#234;&#233;&#244;&#247;           > 80 EA E9 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000177F82E0F00, 16 bytes long.
 Data: <@&#233;&#233;&#244;&#247;           > 40 E9 E9 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000177F82E0FA0, 16 bytes long.
 Data: <&#248;W&#230;&#244;&#247;           > F8 57 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000177F82E1B30, 16 bytes long.
 Data: <&#216;W&#230;&#244;&#247;           > D8 57 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000177F82E1450, 16 bytes long.
 Data: <P &#230;&#244;&#247;           > 50 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000177F82E1AE0, 16 bytes long.
 Data: <0 &#230;&#244;&#247;           > 30 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000177F82E0C30, 16 bytes long.
 Data: <&#224; &#230;&#244;&#247;           > E0 02 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000177F82E16D0, 16 bytes long.
 Data: <  &#230;&#244;&#247;           > 10 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000177F82E19A0, 16 bytes long.
 Data: <p &#230;&#244;&#247;           > 70 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000177F82E1130, 16 bytes long.
 Data: < &#192;&#228;&#244;&#247;           > 18 C0 E4 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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